Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 2/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.40 |
| ▸ | NAAA | Q02083 | 1/20 | 0.40 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.40 |
| ▸ | PGR | P06401 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
| ▸ | WRN | Q14191 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | OXER1 | Q8TDS5 | 3/20 | 0.34 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL11292223 | 0.93 | NAAA (0.44) | NAAAALDH1A1TSHRALOX15HSD17B10 | |
| SCHEMBL8744195 | 0.93 | NAAA (0.44) | NAAAALDH1A1TSHRALOX15HSD17B10 | |
| SCHEMBL8744192 | 0.93 | NAAA (0.44) | NAAAALDH1A1TSHRALOX15HSD17B10 | |
| SCHEMBL30902248 | 0.84 | ALDH1A1 (0.44) | NAAAPGRALDH1A1TSHRALOX15 | |
| SCHEMBL30902264 | 0.84 | ALDH1A1 (0.44) | NAAAPGRALDH1A1TSHRALOX15 | |
| SCHEMBL2039597 | 0.82 | NAAA (0.42) | PTGS1ADORA3NAAANR1I2PGR | |
| SCHEMBL17391650 | 0.82 | TSHR (0.41) | PTGS1ADORA3NR1I2PGRPTGS2 | |
| SCHEMBL873463 | 0.82 | NAAA (0.42) | PTGS1ADORA3NAAANR1I2PGR | |
| SCHEMBL21467458 | 0.82 | NAAA (0.38) | NAAAALDH1A1TSHRALOX15CYP1A2 | |
| SCHEMBL873462 | 0.82 | NAAA (0.42) | PTGS1ADORA3NAAANR1I2PGR |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0523543-B1 | Chiral piperazine derivatives | HOFFMANN LA ROCHE (CH) | 1996-02-07 | — | — | EP | disclosed |
| US-5356559-A | Optically active piperazinyl derivatives as liquid crystals | HOFFMANN-LA ROCHE INC. (US) | 1994-10-18 | — | — | US | disclosed |
| EP-0523543-A1 | Chiral piperazine derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1993-01-20 | — | — | EP | disclosed |